SMILES:
O=C(OCc1ccccc1)N1CCC2C(C1COC1CCCCO1)C2(Br)BrMolecular Processing
Molecular formula
C20H25Br2NO4
Molecular weight
503.23
Exact mass
501.015
XLogP
4.67
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
108.85
Supplementary Information
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